methyl 3-(2-acetyloxyethylsulfanyl)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-pyridin-4-yl-2H-pyrrole-3-carboxylate

Systemtic Name: methyl 3-(2-acetyloxyethylsulfanyl)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-pyridin-4-yl-2H-pyrrole-3-carboxylate Openeye Name: methyl 3-(2-acetoxyethylsulfanyl)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(4-pyridyl)-2H-pyrrole-3-carboxylate CAS Name: 3-(2-acetyloxyethylthio)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-pyridin-4-yl-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-acetyloxyethylsulfanyl)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-pyridin-4-yl-2H-pyrrole-3-carboxylate Traditional Name: 3-(2-acetoxyethylthio)-1-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(4-pyridyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C27H24F2N2O4S MolecularWeight: 510.552266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1(CN(C(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)F)C(=O)OC

Isomeric SMILES

CC(=O)OCCSC1(CN(C(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)F)C(=O)OC

InChI

InChI=1S/C27H24F2N2O4S/c1-18(32)35-14-15-36-27(26(33)34-2)17-31(23-5-3-4-22(29)16-23)25(20-6-8-21(28)9-7-20)24(27)19-10-12-30-13-11-19/h3-13,16H,14-15,17H2,1-2H3